5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole

C15H24N4O — CID 122557437

IUPAC5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole
SMILESC1CN(c2noc(C3CC3)n2)CCC2(C1)CCNCC2
InChIInChI=1S/C15H24N4O/c1-4-15(5-8-16-9-6-15)7-11-19(10-1)14-17-13(20-18-14)12-2-3-12/h12,16H,1-11H2
InChIKeyOOYRARZDIYBURD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds2

About 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole

5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole (PubChem CID 122557437) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole
PubChem CID122557437
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole
SMILESC1CN(c2noc(C3CC3)n2)CCC2(C1)CCNCC2
InChIInChI=1S/C15H24N4O/c1-4-15(5-8-16-9-6-15)7-11-19(10-1)14-17-13(20-18-14)12-2-3-12/h12,16H,1-11H2
InChIKeyOOYRARZDIYBURD-UHFFFAOYSA-N
XLogP2.31
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole (CID 122557437) is 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole is C1CN(c2noc(C3CC3)n2)CCC2(C1)CCNCC2.
What is the InChIKey of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole?
The InChIKey is OOYRARZDIYBURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-15(5-8-16-9-6-15)7-11-19(10-1)14-17-13(20-18-14)12-2-3-12/h12,16H,1-11H2.
What are the key properties of 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole has a molecular weight of 276.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(3,9-diazaspiro[5.6]dodecan-9-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 122557437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).